The search for a spin crossover transition in small sized π-conjugated molecules: A Monte Carlo study

Journal of Physics Condensed Matter

Volumn 23, Issue 31, 2011, Pages

  Bhattacharya, S ^a   Ferreira, M S ^a   Sanvito, S ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

CONJUGATED MOLECULES; ELECTRON PHONON; ELECTRONIC MODEL; FINITE TEMPERATURES; HALF-FILLING; HIGH SPIN STATE; HYPERFINE INTERACTIONS; LATTICE DISTORTIONS; MAGNETIC MOLECULES; MEAN-FIELD LEVEL; MONTE CARLO STUDY; PARAMETER SPACES; REPULSIVE POTENTIALS; SMALL MOLECULES; SPIN CROSSOVERS; SPIN-CROSSOVER TRANSITIONS; TEMPERATURE INCREASE; VIBRATIONAL CONTRIBUTIONS;

BIMETALS; CONJUGATED POLYMERS; ELECTRONIC PROPERTIES; ENTROPY; MOLECULES; PHONONS;

MONTE CARLO METHODS;

POLYMER;

ALGORITHM; ARTICLE; CHEMISTRY; CRYSTALLIZATION; ELECTRONICS; ENTROPY; METHODOLOGY; MONTE CARLO METHOD; PHYSICAL CHEMISTRY; STATISTICAL MODEL; TEMPERATURE; THERMODYNAMICS;

ALGORITHMS; CHEMISTRY, PHYSICAL; CRYSTALLIZATION; ELECTRONICS; ENTROPY; MODELS, STATISTICAL; MONTE CARLO METHOD; POLYMERS; TEMPERATURE; THERMODYNAMICS;

EID: 80051502281     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/31/316001     Document Type: Article

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